| Specification: |
This chemical is called N4-(3-Bromophenyl)quinazoline-4,6-diamine, and it can also be named as 4-Anilinoquinazoline deriv. 45. With the molecular formula of C14H11BrN4, its molecular weight is 315.17. The CAS registry number of this chemical is 169205-78-1.
Other characteristics of the N4-(3-Bromophenyl)quinazoline-4,6-diamine can be summarised as followings: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 5.02; (6)ACD/BCF (pH 7.4): 8.98; (7)ACD/KOC (pH 5.5): 93.42; (8)ACD/KOC (pH 7.4): 167.04; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.779; (14)Molar Refractivity: 81.57 cm3; (15)Molar Volume: 194.5 cm3; (16)Polarizability: 32.34×10-24cm3; (17)Surface Tension: 73.2 dyne/cm; (18)Density: 1.62 g/cm3; (19)Flash Point: 248.3 °C; (20)Enthalpy of Vaporization: 75.28 kJ/mol; (21)Boiling Point: 486.9 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(c1)Nc3ncnc2c3cc(cc2)N
(2)InChI: InChI=1/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
(3)InChIKey: IZQHULBHKPGOAP-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
(5)Std. InChIKey: IZQHULBHKPGOAP-UHFFFAOYSA-N
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![(C14H11BrN4) 4-[3-Bromophenylamino]-6-aminoquinazoline;ZR 01;](https://img1.guidechem.com/chem/e/dict/8/169205-78-1.jpg)
